Glycoside
GD102017
Name:
NoneFormula:
C25H27O6N5Smiles:
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)ncnc21Aglycone:
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.52 | Num_heavy_atoms: | 36 |
| TPSA: | 170.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD43194
Formula: C19H19N5
Smiles:
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 317.4 | Num_heavy_atoms: | 24 |
| TPSA: | 69.62 | NumAromaticRings: | 4 |
